3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-prop-2-ynyl-pyrrolidine-3-carboxylate

Systemtic Name: 3-[3-(3-fluoranyl-6-methoxy-quinolin-4-yl)propyl]-1-prop-2-ynyl-pyrrolidine-3-carboxylate Openeye Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-prop-2-ynyl-pyrrolidine-3-carboxylate CAS Name: 3-[3-(3-fluoro-6-methoxy-4-quinolinyl)propyl]-1-prop-2-ynyl-3-pyrrolidinecarboxylate IUPAC Name: 3-[3-(3-fluoro-6-methoxyquinolin-4-yl)propyl]-1-prop-2-ynylpyrrolidine-3-carboxylate Traditional Name: 3-[3-(3-fluoro-6-methoxy-4-quinolyl)propyl]-1-propargyl-pyrrolidine-3-carboxylate Formula: C21H22FN2O3- MolecularWeight: 369.409383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CC#C)C(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)F)CCCC3(CCN(C3)CC#C)C(=O)[O-]

InChI

InChI=1S/C21H23FN2O3/c1-3-10-24-11-9-21(14-24,20(25)26)8-4-5-16-17-12-15(27-2)6-7-19(17)23-13-18(16)22/h1,6-7,12-13H,4-5,8-11,14H2,2H3,(H,25,26)/p-1